SCHEMBL3528940

SCHEMBL3528940

CCC1CCc2ccccc2N1Cc1c[nH]cn1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.43
MTNR1B P49286 1/20 0.39
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 1/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3528944 1.00 MTNR1A (0.43) MTNR1AMTNR1BCHRM2CHRM4CHRM1
SCHEMBL3528943 1.00 MTNR1A (0.43) MTNR1AMTNR1BCHRM2CHRM4CHRM1
SCHEMBL3526071 0.85 CHRM2 (0.46) MTNR1ACHRM2CHRM4CHRM1CHRM3
SCHEMBL3526076 0.85 CHRM2 (0.46) MTNR1ACHRM2CHRM4CHRM1CHRM3
SCHEMBL3526073 0.85 CHRM2 (0.46) MTNR1ACHRM2CHRM4CHRM1CHRM3
SCHEMBL2365390 0.82 MTNR1A (0.37) MTNR1AMTNR1BCHRM2CHRM4CHRM1
SCHEMBL3524895 0.78 KMT2A (0.47) CHRM2CHRM4CHRM1CHRM3
SCHEMBL3524892 0.78 KMT2A (0.47) CHRM2CHRM4CHRM1CHRM3
SCHEMBL3524896 0.78 KMT2A (0.47) CHRM2CHRM4CHRM1CHRM3
SCHEMBL1735281 0.77 MTNR1A (0.42) MTNR1AMTNR1BPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US claimed
US-7858652-B2 Substituted 4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
EP-2084152-A2 SUBSTITUTED 4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-08-05 EP disclosed
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US disclosed
WO-2008058867-A2 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES TAAR1, TAAR5, TACR1 MTNR1A 29/4885MTNR1B 50/4885CHRM2 70/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.